(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone

C16H24N2O2 — CID 104659366

IUPAC(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1CN(C)CCN1C
InChIInChI=1S/C16H24N2O2/c1-4-11-20-15-8-6-5-7-13(15)16(19)14-12-17(2)9-10-18(14)3/h5-8,14H,4,9-12H2,1-3H3
InChIKeyKFSOOXBSLZPOBB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.90
Rot. Bonds5

About (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone

(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone (PubChem CID 104659366) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
PubChem CID104659366
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1CN(C)CCN1C
InChIInChI=1S/C16H24N2O2/c1-4-11-20-15-8-6-5-7-13(15)16(19)14-12-17(2)9-10-18(14)3/h5-8,14H,4,9-12H2,1-3H3
InChIKeyKFSOOXBSLZPOBB-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
CID 91767092
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
(2-propoxyphenyl)-(thiolan-2-yl)methanone
CID 104659403
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
2-[2-(4-ethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63578943
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
2-propoxy-N-propylbenzamide
CID 58831728

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone (CID 104659366) is (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)C1CN(C)CCN1C.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone?
The InChIKey is KFSOOXBSLZPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-11-20-15-8-6-5-7-13(15)16(19)14-12-17(2)9-10-18(14)3/h5-8,14H,4,9-12H2,1-3H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone?
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 104659366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).